Vitas-M small molecule compound
dimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK508544
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)CN2C(=O)CCC2=O)C)/S1)C(=O)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H24N2O7S3 MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O7S3/c1-12-6-7-13-14(10-12)27(17(30)11-26-15(28)8-9-16(26)29)25(2,3)21(35)18(13)24-36-19(22(31)33-4)20(37-24)23(32)34-5/h6-7,10H,8-9,11H2,1-5H3InChIKey
OHVNMLUHXMURBB-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN4C(=O)CCC4=O)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)CN2C(=O)CCC2=O)C)S1)C(=O)OC
dimethyl2(1((25dioxopyrrolidin1yl)acetyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(25DIOXOPYRROLIDIN1YL)ACETYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(25dioxopyrrolidin1yl)acetyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H24N2O7S3c112671314(1012)27(17(30)112615(28)8916(26)29)25(23)21(35)18(13)243619(22(31)334)20(3724)23(32)345h6710H8911H215H3
METHYL2(1(2(25DIOXOAZOLIDINYL)ACETYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01068162
ZINC000098045434
ZINC98045434
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